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openmodelica

OpenModelica is an open-source Modelica-based modeling and simulation environment intended for industrial and academic usage.

opsin

optima

A C++/Python library for numerical optimization calculations

osra_vs

OSRA built by Visual Studio

pc-saft

Functions implementing the PC-SAFT equation of state, including association, electrolyte and dipole terms

pc-saft-1

Open-source implementation of PC-SAFT equation of state

phasepy

phreeqpython

Object-oriented python wrapper for the VIPhreeqc module

pura

Clean chemical data quickly

pychemqt

pychemqt intended as a free software tool for calculation and design of unit operations in chemical engineering. The goal is to obtain an equivalent free software to CHEMCAD or hysys. It is written in python using qt as graphics libraries, so is cross-platform.

pyde

An implementation of Differential Evolution procedure for unconstrained optimization

pyequion2

Pure python package for electrolyte equilibrium calculation

pythermophy

Python module for predicting density, heat capacities and speed of sound of pure fluids using Peng-Robinson, (Soave-)Redlich-Kwong and Lee-Kesler equations of state.

python-refprop

Python (3.x & 2.x) API for NIST Standard Reference Database 23 (a.k.a. Refprop) on Linux and Windows

python-ternary

:small_red_triangle: Ternary plotting library for python with matplotlib

reaktoro

a unified framework for modeling chemically reactive systems

scantailor-advanced

ScanTailor Advanced is the version that merges the features of the ScanTailor Featured and ScanTailor Enhanced versions, brings new ones and fixes.

sgtpy

shgo

Simplicial Homology Global Optimization

sigma

LVPP sigma-profile database + COSMO-SAC parametrizations

sindri

Estimation of thermodynamics properties and vapor-liquid equilibrium calculations

spleeter

Deezer source separation library including pretrained models.

thermo

Thermodynamics, phase equilibria, transport properties and chemical database component of Chemical Engineering Design Library (ChEDL)

thermopyl

Tools for ThermoML parsing

umansysprop_public

Source code for predictive techniques provided in the UManSysProp facility.

version2

Vector class library, latest version

xyz2mol

Converts an xyz file to an RDKit mol object